2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]sulfanylethanoic acid hydrochloride

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]sulfanylethanoic acid hydrochloride Openeye Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-carbamothioyl]sulfanylacetic acid hydrochloride CAS Name: 2-[[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-sulfanylidenemethyl]thio]acetic acid hydrochloride IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethyl-methylcarbamothioyl]sulfanylacetic acid hydrochloride Traditional Name: 2-[[homoveratryl(methyl)thiocarbamoyl]thio]acetic acid hydrochloride Formula: C14H20ClNO4S2 MolecularWeight: 365.8959

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)SCC(=O)O.Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=S)SCC(=O)O.Cl

InChI

InChI=1S/C14H19NO4S2.ClH/c1-15(14(20)21-9-13(16)17)7-6-10-4-5-11(18-2)12(8-10)19-3;/h4-5,8H,6-7,9H2,1-3H3,(H,16,17);1H